Geometry & MOs

Info

ID:	297395
PubChem CID:	117616798
Reduced:	SO3N6C20H20 (1)
Stoich.:	AB3C6D20E20 (1)
Weight, g/mol:	485.156241
ΔH_f, kcal/mol:	6.93
Dipole, Da:	4.61
IP(EA), eV:	-9.29(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[2-(1-hydroxy-2-oxo-2-pyrrolidin-1-ylethyl)-4-(trifluoromethyl)phenoxy]phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC[C@@H]([C@H](C1)C#N)N2C3=CC=NC(=O)C3=C(N2)NC4=CC5=C(C=C4)S(=O)(=O)NC5

DOS

IR

Vibrations